SCHEMBL3537137

SCHEMBL3537137

O=C1CC(C2CC2)=NN1c1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 2/20 0.41
MGLL Q99685 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
NOTUM Q6P988 2/20 0.38
MAPT P10636 3/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CASP6 P55212 1/20 0.37
ADRA1D P25100 2/20 0.36
ADRA1A P35348 2/20 0.36
ADRA1B P35368 2/20 0.36
ALOX5 P09917 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
TP53 P04637 1/20 0.36
RECQL P46063 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3528966 0.88 NOTUM (0.40) HCAR1NOTUMMAPTKMT2AALDH1A1
SCHEMBL3533237 0.83 MEN1 (0.45) HCAR1MGLLNOTUMMAPTKMT2A
SCHEMBL3532127 0.83 MAPT (0.45) MGLLPDCD1CD274MAPTKMT2A
SCHEMBL3528352 0.82 PDCD1 (0.45) PDCD1CD274NOTUMMAPTKMT2A
SCHEMBL3529723 0.82 SHMT2 (0.43) MGLLMAPTKMT2AMEN1LMNA
SCHEMBL3527797 0.81 SLC9A1 (0.40) MAPTKMT2AMEN1LMNAALDH1A1
SCHEMBL3529246 0.80 ALDH1A1 (0.40) HCAR1MAPTKMT2AMEN1LMNA
SCHEMBL3534430 0.80 GAA (0.43) MGLLPDCD1CD274MAPTKMT2A
SCHEMBL3530839 0.79 GAA (0.57) MAPTKMT2AMEN1LMNAALDH1A1
SCHEMBL3529137 0.79 DRD2 (0.37) PDCD1CD274MAPTKMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652057-B2 Pyrazolones as 11b-HSD1 inhibitors for diabetes HOFFMAN-LA ROCHE INC. (US) 2010-01-26 US disclosed
EP-1924562-A2 PYRAZOLONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
WO-2007025880-A2 PYRAZOLONE DERIVATIVES AS 11-BETA HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed
US-20070049574-A1 New pyrazolones as 11b-HSD1 inhibitors for diabetes F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070049574-A1 New pyrazolones as 11b-HSD1 inhibitors for diabetes HSD11B1, HSD17B1, HSD17B7 HCAR1 946/4885MGLL 2403/4885PDCD1 2388/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.